N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

C16H13ClN4O2S — CID 135963079

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135963079) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
• PubChem CID: 135963079
• Molecular Formula: C16H13ClN4O2S
• Molecular Weight: 360.83 g/mol
• Exact Mass: 360.04
• IUPAC Name: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
• SMILES: Cc1nc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc(=O)[nH]1
• InChI: InChI=1S/C16H13ClN4O2S/c1-9-19-13(7-14(22)20-9)15(23)21-16-18-8-11(24-16)6-10-4-2-3-5-12(10)17/h2-5,7-8H,6H2,1H3,(H,18,21,23)(H,19,20,22)
• InChIKey: WBYHXNNSGNKDLQ-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.83
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?

The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 135963079) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?

The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc(=O)[nH]1.

What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?

The InChIKey is WBYHXNNSGNKDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c1-9-19-13(7-14(22)20-9)15(23)21-16-18-8-11(24-16)6-10-4-2-3-5-12(10)17/h2-5,7-8H,6H2,1H3,(H,18,21,23)(H,19,20,22).

What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 360.83 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135963079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).